Relationships between precipitation, soil water and groundwater at Chongling catchment with the typical vegetation cover in the Taihang mountainous region, China

Vegetation cover plays an important role in the process of evaporation and infiltration. To explore the relationships between precipitation, soil water and groundwater in Taihang mountainous region, China, precipitation, soil water and water table were observed from 2004 to 2006, and precipitation, soil water and groundwater were sampled in 2004 and 2005 for oxygen-18 and deuterium analysis at Chongling catchment. The soil water was sampled at three sites covered by grass (Carex humilis and Carex lanceolata), acacia and arborvitae respectively. Precipitation is mainly concentrated in rainy seasons and has no significant spatial variance in study area. The stable isotopic compositions are enriched in precipitation and soil water due to the evaporation. The analysis of soil water potential and isotopic profiles shows that evaporation of soil water under arborvitae cover is weaker than under grass and acacia, while soil water evaporation under grass and acacia showed no significant difference. Both delta O-18 profiles and soil water potential dynamics reveal that the soil under acacia allows the most rapid infiltration rate, which may be related to preferential flow. In the process of infiltration after a rainstorm, antecedent water still takes up over 30% of water in the topsoil. The soil water between depths of 0-115 cm under grass has a residence time of about 20 days in the rainy season. Groundwater recharge from precipitation mainly occurs in the rainy season, especially when rainstorms or successive heavy rain events happen.

Radiation-use efficiency and the harvest index of winter wheat at different nitrogen levels and their relationships to canopy spectral reflectance

Radiation-use efficiency (RUE, g/MJ) and the harvest index (HI, unitless) are two helpful characteristics in interpreting crop response to environmental and climatic changes. They are also increasingly important for accurate crop yield simulation, but they are affected by various environmental factors. In this study, the RUE and HI of winter wheat and their relationships to canopy spectral reflectance were investigated based on the massive field measurements of five nitrogen (N) treatments. Crop production can be separated into light interception and RUE. The results indicated that during a long period of slow growth from emergence to regreening, the effect of N on crop production mainly showed up in an increased light interception by the canopy. During the period of rapid growth from regreening to maturity, it was present in both light interception and RUE. The temporal variations of RUEAPAR (aboveground biomass produced per unit of photosynthetically active radiation absorbed by the canopy) during the period from regreening to maturity had different patterns corresponding to the N deficiency, N adequacy and N-excess conditions. Moreover, significant relationships were found between the RUEAPAR and the accumulative normalised difference vegetation index (NDVI) in the integrated season (R-2 = 0.68), between the HI and the accumulative NDVI after anthesis (R-2 = 0.89), and between the RUEgrain (ratio of grain yield to the total amount of photosynthetically active radiation absorbed by the canopy) and the accumulative NDVI of the whole season (R-2 = 0.89) and that after anthesis (R-2 = 0.94). It suggested that canopy spectral reflectance has the potential to reveal the spatial information of the RUEAPAR, HI and RUEgrain. It is hoped that this information will be useful in improving the accuracy of crop yield simulation in large areas.

Ground state of lutetium dimer by density functional methods

Bond distances, vibrational frequencies and dissociation energies for the ground state of Lu-2 were studied by density functional methods B3LYP, B3PW91, BLYP, BHLYP, BP86, B3P86, MPW1PW91, PBE1PBE and SVWN with CEP-121G and SDD basis sets. Singlet state is predicted to be the most stable. CEP-121G has a better overall performance than SDD. At CEP-121G basis set, all density functional methods used in this study perform well in reproducing the spectroscopic constants.

Peripheries of molecular projection in three-dimensional space and studies of quantitative structure-activity relationships

A new index, i.e., the periphery representation of the projection of a molecule from 3D space to a 2D plane is described. The results, correlation with toxicity of substituted nitrobenzenes, obtained by using periphery descriptors are much better than that obtained by using the areas (i.e., shadows) of projections of the compounds. Even better results were achieved by using the combination of periphery descriptors and the projections areas as well as the indicated variable K reflecting the action of group NO position on the benzene ring.